Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 8/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18630764 | 0.89 | HRH3 (0.39) | NTRK1CSF1RNTRK2BACE1ADORA2A | |
| SCHEMBL18650877 | 0.82 | F10 (0.39) | NTRK1CSF1RNTRK2BACE1ADORA2A | |
| SCHEMBL18630776 | 0.76 | BACE1 (0.46) | BACE1ADORA2ATLR8NUDT1 | |
| SCHEMBL18641975 | 0.71 | CNR2 (0.37) | HRH3KCNH2HRH1 | |
| SCHEMBL18641974 | 0.71 | CNR2 (0.37) | HRH3KCNH2HRH1 | |
| SCHEMBL18642011 | 0.69 | KMT2A (0.49) | — | |
| SCHEMBL18642009 | 0.69 | KMT2A (0.49) | — | |
| SCHEMBL18631249 | 0.69 | ACSS2 (0.42) | BACE1ADORA2ATLR8NUDT1 | |
| SCHEMBL18631316 | 0.67 | BACE1 (0.38) | NTRK1CSF1RNTRK2BACE1ADORA2A | |
| SCHEMBL18650876 | 0.66 | BACE1 (0.54) | BACE1TLR8NUDT1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3350177-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2018-07-25 | — | — | EP | disclosed |
| WO-2017049068-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |